Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18980002 | 0.81 | F10 (0.51) | ADRB2NCF1F10KCNH2ALDH1A1 | |
| SCHEMBL29722200 | 0.81 | F10 (0.51) | ADRB2NCF1F10KCNH2ALDH1A1 | |
| SCHEMBL28250636 | 0.80 | ADRB2 (0.50) | ADRB2NCF1F10KCNH2ALDH1A1 | |
| SCHEMBL21034181 | 0.79 | ADRB2 (0.49) | ADRB2NCF1F10KCNH2ALDH1A1 | |
| SCHEMBL28438206 | 0.79 | NPC1 (0.40) | SMN1; SMN2NPC1 | |
| SCHEMBL28664473 | 0.79 | ADRB2 (0.51) | ADRB2NCF1F10KCNH2ALDH1A1 | |
| SCHEMBL24010608 | 0.78 | ADRB2 (0.48) | ADRB2NCF1F10KCNH2ALDH1A1 | |
| SCHEMBL6186822 | 0.77 | ADRB2 (0.62) | ADRB2NCF1F10KCNH2PDGFRB | |
| SCHEMBL29722401 | 0.77 | ADRB2 (0.58) | ADRB2NCF1F10KCNH2ALDH1A1 | |
| SCHEMBL18980471 | 0.77 | ADRB2 (0.58) | ADRB2NCF1F10KCNH2ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699032-B | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-113603675-A | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2021-11-05 | — | — | CN | disclosed |